methyl 3-[(4-methoxycarbonylphenyl)sulfonylamino]-4-methylbenzoate

C17H17NO6S — CID 24510050

IUPACmethyl 3-[(4-methoxycarbonylphenyl)sulfonylamino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)Nc2cc(C(=O)OC)ccc2C)cc1
InChIInChI=1S/C17H17NO6S/c1-11-4-5-13(17(20)24-3)10-15(11)18-25(21,22)14-8-6-12(7-9-14)16(19)23-2/h4-10,18H,1-3H3
InChIKeyWHOIMKQZDNEQHM-UHFFFAOYSA-N
MW363.39 g/mol
LogP2.37
Rot. Bonds5

About methyl 3-[(4-methoxycarbonylphenyl)sulfonylamino]-4-methylbenzoate

methyl 3-[(4-methoxycarbonylphenyl)sulfonylamino]-4-methylbenzoate (PubChem CID 24510050) has the molecular formula C17H17NO6S and a molecular weight of 363.39 g/mol. Its IUPAC name is methyl 3-[(4-methoxycarbonylphenyl)sulfonylamino]-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[(4-methoxycarbonylphenyl)sulfonylamino]-4-methylbenzoate
PubChem CID24510050
Molecular FormulaC17H17NO6S
Molecular Weight363.39 g/mol
Exact Mass363.08
IUPAC Namemethyl 3-[(4-methoxycarbonylphenyl)sulfonylamino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)Nc2cc(C(=O)OC)ccc2C)cc1
InChIInChI=1S/C17H17NO6S/c1-11-4-5-13(17(20)24-3)10-15(11)18-25(21,22)14-8-6-12(7-9-14)16(19)23-2/h4-10,18H,1-3H3
InChIKeyWHOIMKQZDNEQHM-UHFFFAOYSA-N
XLogP2.37
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[(4-methoxycarbonylphenyl)sulfonylamino]-4-methylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[(4-fluorophenyl)sulfonylamino]-4-methylbenzoate
CID 807062
methyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-4-methylbenzoate
CID 99816310
methyl 3-[(4-bromo-3-methylphenyl)sulfonylamino]-4-methylbenzoate
CID 2696840
methyl 4-[[5-(diethylsulfamoyl)-2-methylphenyl]sulfamoyl]benzoate
CID 24510131
methyl 4-methyl-3-[(4-pentylphenyl)sulfonylamino]benzoate
CID 3759462
methyl 4-[[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]sulfamoyl]benzoate
CID 24510176
ethane;methyl 3,4-bis[(4-methylphenyl)sulfonylamino]benzoate
CID 144649558
methyl 4-methyl-3-(pyridin-3-ylsulfonylamino)benzoate
CID 25038996
methyl 3-methyl-4-[(4-methylsulfonylphenyl)sulfonylamino]benzoate
CID 25469548
methyl 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-4-methylbenzoate
CID 2108537
methyl 4-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzoate
CID 36525556
methyl 3-(ethylsulfonylamino)-4-methylbenzoate
CID 6466185

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-methoxycarbonylphenyl)sulfonylamino]-4-methylbenzoate?
The IUPAC name of methyl 3-[(4-methoxycarbonylphenyl)sulfonylamino]-4-methylbenzoate (CID 24510050) is methyl 3-[(4-methoxycarbonylphenyl)sulfonylamino]-4-methylbenzoate.
What is the SMILES notation for methyl 3-[(4-methoxycarbonylphenyl)sulfonylamino]-4-methylbenzoate?
The canonical SMILES for methyl 3-[(4-methoxycarbonylphenyl)sulfonylamino]-4-methylbenzoate is COC(=O)c1ccc(S(=O)(=O)Nc2cc(C(=O)OC)ccc2C)cc1.
What is the InChIKey of methyl 3-[(4-methoxycarbonylphenyl)sulfonylamino]-4-methylbenzoate?
The InChIKey is WHOIMKQZDNEQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO6S/c1-11-4-5-13(17(20)24-3)10-15(11)18-25(21,22)14-8-6-12(7-9-14)16(19)23-2/h4-10,18H,1-3H3.
What are the key properties of methyl 3-[(4-methoxycarbonylphenyl)sulfonylamino]-4-methylbenzoate?
methyl 3-[(4-methoxycarbonylphenyl)sulfonylamino]-4-methylbenzoate has a molecular weight of 363.39 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-methoxycarbonylphenyl)sulfonylamino]-4-methylbenzoate is sourced from PubChem (CID 24510050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).